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Simplification of Reaction Networks, Confluence and Elementary Modes

Authors: Madelaine, Guillaume; Tonello, Elisa; Lhoussaine, Cédric; Niehren, Joachim;

Simplification of Reaction Networks, Confluence and Elementary Modes

Abstract

Reaction networks can be simplified by eliminating linear intermediate species in partial steadystates. Inthispaper,westudythequestionwhetherthisrewriteprocedureisconfluent,so that for any given reaction network with kinetic constraints, a unique normal form will be obtained independently of the elimination order. We first show that confluence fails for the elimination of intermediates even without kinetics, if “dependent reactions” introduced by the simplification are not removed. This leads us to revising the simplification algorithm into a variant of the double description method for computing elementary modes, so that it keeps track of kinetic information. Folklore results on elementary modes imply the confluence of the revised simplification algorithm with respect to the network structure, i.e., the structure of fully simplified networks is unique. We show, however, that the kinetic rates assigned to the reactions may not be unique, and provide a biological example where two different simplified networks can be obtained. Finally, we give a criterion on the structure of the initial network that is sufficient to guarantee the confluence of both the structure and the kinetic rates.

Country
France
Keywords

System biology, Chemical reaction networks, Deterministic semantics, reaction network, system biology, Confluence, QA75.5-76.95, Rewrite systems, elementary modes, [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, ordinary differential equations, Electronic computers. Computer science, simplification, Elementary modes, rewriting rules, Structural simplification, Ordinary differential equations, deterministic semantics, [INFO.INFO-BI] Computer Science [cs]/Bioinformatics [q-bio.QM], confluence

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
Green
gold